Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Methohexital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.33 |
| ▸ | GABRG2 known ✓ | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 known ✓ | P28472 | 3/20 | 0.33 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methohexital SCHEMBL80730 | 1.00 | MMP9 (0.42) | MMP9NR1I2CYP3A4GABRA1GABRG2 | |
| Methohexital SCHEMBL20980055 | 1.00 | MMP9 (0.42) | MMP9NR1I2CYP3A4GABRA1GABRG2 | |
| Methohexital SCHEMBL80729 | 1.00 | MMP9 (0.42) | MMP9NR1I2CYP3A4GABRA1GABRG2 | |
| Methohexital SCHEMBL19420179 | 1.00 | MMP9 (0.42) | MMP9NR1I2CYP3A4GABRA1GABRG2 | |
| Methohexital SCHEMBL5115660 | 0.99 | MMP9 (0.41) | MMP9NR1I2CYP3A4GABRA1GABRG2 | |
| SCHEMBL10581308 | 0.89 | MMP9 (0.39) | MMP9NR1I2CYP3A4LMNA | |
| Methohexital SCHEMBL13724704 | 0.86 | GABRA1 (0.33) | MMP9GABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL4837768 | 0.86 | MMP9 (0.33) | MMP9GABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL1003787 | 0.86 | LMNA (0.59) | MMP9GABRA1GABRG2GABRB3GABRB2 | |
| SCHEMBL17471557 | 0.85 | MMP9 (0.35) | MMP9NR1I2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428887-A | Method of producing mono-substituted terminal diesters | MONSANTO COMPANY (US) | 1984-01-31 | — | — | US | disclosed |